iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole; pyrazine-2-carboxylate

Systemtic Name: iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole; pyrazine-2-carboxylate Openeye Name: iridium; 2-(4-methoxy-1-naphthyl)benzotriazole; pyrazine-2-carboxylate CAS Name: iridium; 2-(4-methoxy-1-naphthalenyl)benzotriazole; 2-pyrazinecarboxylate IUPAC Name: iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole; pyrazine-2-carboxylate Traditional Name: iridium; 2-(4-methoxy-1-naphthyl)benzotriazole; pyrazinate Formula: C39H29IrN8O4- MolecularWeight: 865.91576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.C1=CN=C(C=N1)C(=O)[O-].[Ir]

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.C1=CN=C(C=N1)C(=O)[O-].[Ir]

InChI

InChI=1S/2C17H13N3O.C5H4N2O2.Ir/c2*1-21-17-11-10-16(12-6-2-3-7-13(12)17)20-18-14-8-4-5-9-15(14)19-20;8-5(9)4-3-6-1-2-7-4;/h2*2-11H,1H3;1-3H,(H,8,9);/p-1